SCHEMBL4398974

SCHEMBL4398974

Cc1cc[n+](CCCC#Cc2ccccc2C#CCCC[n+]2ccc(C)cc2C)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 4/20 0.42
▸ CHRNA10 Q9GZZ6 4/20 0.42
▸ CHRNA9 Q9UGM1 4/20 0.42
▸ CHRNB2 P17787 2/20 0.42
▸ CHRNB4 P30926 2/20 0.42
▸ CHRNA3 P32297 2/20 0.42
▸ CHRNA4 P43681 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.35
▸ CYP3A4 P08684 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4401353 0.84 CHRNA7 (0.41) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
SCHEMBL4400608 0.83 SMN1; SMN2 (0.59) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
SCHEMBL13334220 0.82 CHRNA7 (0.49) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
SCHEMBL5330897 0.81 CHRNB2 (0.32) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
Bromide SCHEMBL3313567 0.81 CHRNA7 (0.50) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
SCHEMBL4400692 0.80 CHRNA7 (0.50) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
SCHEMBL8015063 0.77 NPC1 (0.45) SMN1; SMN2NPC1POLBRAB9AKDM4E
Bromide SCHEMBL7251134 0.75 NPC1 (0.48) SMN1; SMN2NPC1POLBRAB9AKDM4E
Bromide SCHEMBL16105103 0.75 FFAR1 (0.41) CHRNA7CHRNA10CHRNA9SMN1; SMN2NPC1
SCHEMBL13334071 0.75 HTT (0.45) SMN1; SMN2NPC1POLBRAB9AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160340335-A9 METHOD OF TREATING NEUROPATHIC PAIN UNIVERSITY OF UTAH (US) 2016-11-24 — — US disclosed
US-20160340335-A9 METHOD OF TREATING NEUROPATHIC PAIN UNIVERSITY OF UTAH (US) 2016-11-24 — — US disclosed
US-9499518-B2 Bis-quaternary ammonium salts as pain modulating agents UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2016-11-22 — — US disclosed
US-20160279119-A9 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2016-09-29 — — US disclosed
US-20160279119-A9 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2016-09-29 — — US disclosed
US-20140011836-A1 METHOD OF TREATING NEUROPATHIC PAIN UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-01-09 — — US disclosed
US-20140011836-A1 METHOD OF TREATING NEUROPATHIC PAIN UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-01-09 — — US disclosed
US-8178678-B2 Bis-quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-05-15 — — US disclosed
US-20110166177-A1 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-07-07 — — US disclosed
US-20100069432-A1 Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-03-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110166177-A1 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS RELA, FHIT, OPRL1 CHRNA7 448/4885CHRNA10 265/4885CHRNA9 454/4885
US-20160340335-A9 METHOD OF TREATING NEUROPATHIC PAIN INA, GAP43, ACHE CHRNA7 157/4885CHRNA10 126/4885CHRNA9 233/4885
US-20160279119-A9 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS RELA, FHIT, OPRL1 CHRNA7 448/4885CHRNA10 265/4885CHRNA9 454/4885
US-20100069432-A1 Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA5, CHRNA4 CHRNA7 7/4885CHRNA10 4/4885CHRNA9 12/4885
US-20140011836-A1 METHOD OF TREATING NEUROPATHIC PAIN INA, GAP43, ACHE CHRNA7 157/4885CHRNA10 126/4885CHRNA9 233/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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